SCHEMBL11072074

SCHEMBL11072074

[O]C(=O)Nc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
EPHX1 P07099 1/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.33
CDK9 P50750 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
NAPRT Q6XQN6 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9725165 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL6033544 0.83 SMN1; SMN2 (0.38) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL97108 0.81 HSD17B10 (0.48) SMN1; SMN2TSHRNAPRTHSD17B10ALDH1A1
SCHEMBL55828 0.81 GAA (0.42) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL11465101 0.81 SMN1; SMN2 (0.32) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3760045 0.79 PTPN1 (0.46) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL1415961 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TP53TSHRHSD17B10ALDH1A1
SCHEMBL3996276 0.78 SMN1; SMN2 (0.53) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL11705096 0.78 SCN1A (0.33) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL429187 0.78 PTPN1 (0.48) SMN1; SMN2TP53HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426515-A Process for the manufacture of polyurethanes by carbonylation of nitrated hydroxy-aromatic compounds PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1984-01-17 US disclosed